Geometry & MOs

Info

ID:	213542
PubChem CID:	81064082
Reduced:	N2O6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	290.022498
ΔH_f, kcal/mol:	-161.05
Dipole, Da:	6.81
IP(EA), eV:	-10.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations